Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14406479 | 0.90 | MAT2A (0.42) | CYP1A2CYP3A4TSHRUSP2CYP2D6 | |
| SCHEMBL1084931 | 0.86 | CHEK2 (0.53) | CYP1A2CYP3A4TSHRUSP2CYP2D6 | |
| SCHEMBL1084378 | 0.80 | MAPT (0.53) | CYP1A2CYP3A4TSHRUSP2CYP2D6 | |
| SCHEMBL1084755 | 0.78 | CHEK2 (0.55) | CYP1A2CYP3A4TSHRUSP2CYP2D6 | |
| SCHEMBL13769465 | 0.77 | CYP1A2 (0.53) | CYP1A2CYP3A4TSHRUSP2CYP2D6 | |
| SCHEMBL1084398 | 0.74 | MAPT (0.61) | CYP1A2CYP3A4TSHRUSP2CYP2D6 | |
| SCHEMBL939226 | 0.74 | CYP1A2 (0.57) | CYP1A2CYP3A4TSHRUSP2CYP2D6 | |
| SCHEMBL13769863 | 0.74 | CYP1A2 (0.57) | CYP1A2CYP3A4TSHRUSP2CYP2D6 | |
| SCHEMBL3910814 | 0.74 | ELANE (0.58) | CYP1A2CYP3A4TSHRUSP2CYP2D6 | |
| SCHEMBL1084367 | 0.74 | NTSR1 (0.57) | CYP1A2CYP3A4TSHRUSP2CYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |